SCHEMBL4377271

SCHEMBL4377271

CCC(CC)N1CCN(C(=O)C=CC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.55
SLC6A3 Q01959 4/20 0.55
HRH3 Q9Y5N1 10/20 0.48
SLC6A2 P23975 3/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR183 P32249 1/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4377267 1.00 SLC6A4 (0.55) SLC6A4SLC6A3HRH3SLC6A2MEN1
Hydrochloric Acid SCHEMBL4375762 0.99 SLC6A4 (0.54) SLC6A4SLC6A3HRH3SLC6A2MEN1
Hydrochloric Acid SCHEMBL4378691 0.99 SLC6A4 (0.54) SLC6A4SLC6A3HRH3SLC6A2MEN1
SCHEMBL4381663 0.81 ALDH1A1 (0.51) MEN1KMT2AHPGDALDH1A1
SCHEMBL4381660 0.81 ALDH1A1 (0.51) MEN1KMT2AHPGDALDH1A1
SCHEMBL13636030 0.80 HRH3 (0.46) SLC6A4SLC6A3HRH3MEN1POLB
Hydrochloric Acid SCHEMBL4376444 0.80 ALDH1A1 (0.50) HRH3MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL4376442 0.80 ALDH1A1 (0.50) HRH3MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL4375748 0.79 HRH3 (0.46) SLC6A4SLC6A3HRH3MEN1POLB
Hydrochloric Acid SCHEMBL4375745 0.79 HRH3 (0.46) SLC6A4SLC6A3HRH3MEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed